USER MOD reduce.3.24.130724 H: found=0, std=0, add=239, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 237 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj : A 21 GLN H : A 20 CYS C : A 43 AGAG :(metal ligand) USER MOD Single : A 1 GLN : amide:sc= -0.228 K(o=-0.23,f=-1.7!) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -1.38! C(o=-1.4!,f=-7.7!) USER MOD Single : A 5 HIS : no HE2:sc= -11.7! C(o=-12!,f=-15!) USER MOD Single : A 8 GLN : amide:sc= -0.887 K(o=-0.89,f=-2.5) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-3.1!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.758 K(o=-0.76,f=-5!) USER MOD Single : A 17 ASN : amide:sc= -4.72! C(o=-4.7!,f=-4.4!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.141 USER MOD Single : A 26 CYS SG : rot -169:sc= -5.89! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -1.22 K(o=-1.2,f=-7.5!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0447 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -1.74 K(o=-1.7,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -0.574 11.913 2.181 1.00 0.00 N ATOM 2 CA GLN A 1 -1.544 11.711 1.063 1.00 0.00 C ATOM 3 C GLN A 1 -0.828 11.130 -0.160 1.00 0.00 C ATOM 4 O GLN A 1 -1.275 10.170 -0.755 1.00 0.00 O ATOM 5 CB GLN A 1 -2.096 13.104 0.748 1.00 0.00 C ATOM 6 CG GLN A 1 -3.233 12.984 -0.267 1.00 0.00 C ATOM 7 CD GLN A 1 -4.569 13.250 0.428 1.00 0.00 C ATOM 8 OE1 GLN A 1 -4.680 13.113 1.631 1.00 0.00 O ATOM 9 NE2 GLN A 1 -5.596 13.629 -0.282 1.00 0.00 N ATOM 0 H1 GLN A 1 -1.071 12.307 3.005 1.00 0.00 H new ATOM 0 H2 GLN A 1 -0.146 11.001 2.439 1.00 0.00 H new ATOM 0 H3 GLN A 1 0.172 12.572 1.879 1.00 0.00 H new ATOM 0 HA GLN A 1 -2.337 11.013 1.331 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -2.457 13.579 1.660 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -1.305 13.739 0.350 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -3.086 13.696 -1.079 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -3.234 11.989 -0.711 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -5.504 13.744 -1.291 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -6.491 13.810 0.172 1.00 0.00 H new ATOM 20 N ASN A 2 0.279 11.707 -0.543 1.00 0.00 N ATOM 21 CA ASN A 2 1.019 11.187 -1.730 1.00 0.00 C ATOM 22 C ASN A 2 1.522 9.766 -1.461 1.00 0.00 C ATOM 23 O ASN A 2 1.256 9.190 -0.425 1.00 0.00 O ATOM 24 CB ASN A 2 2.195 12.147 -1.915 1.00 0.00 C ATOM 25 CG ASN A 2 3.055 12.148 -0.650 1.00 0.00 C ATOM 26 OD1 ASN A 2 3.063 11.189 0.095 1.00 0.00 O ATOM 27 ND2 ASN A 2 3.786 13.194 -0.375 1.00 0.00 N ATOM 0 H ASN A 2 0.703 12.515 -0.086 1.00 0.00 H new ATOM 0 HA ASN A 2 0.390 11.137 -2.619 1.00 0.00 H new ATOM 0 HB2 ASN A 2 2.793 11.845 -2.774 1.00 0.00 H new ATOM 0 HB3 ASN A 2 1.829 13.153 -2.120 1.00 0.00 H new ATOM 0 HD21 ASN A 2 4.364 13.206 0.465 1.00 0.00 H new ATOM 0 HD22 ASN A 2 3.779 14.000 -1.001 1.00 0.00 H new ATOM 34 N GLU A 3 2.245 9.195 -2.386 1.00 0.00 N ATOM 35 CA GLU A 3 2.760 7.810 -2.177 1.00 0.00 C ATOM 36 C GLU A 3 4.245 7.849 -1.857 1.00 0.00 C ATOM 37 O GLU A 3 5.000 6.951 -2.172 1.00 0.00 O ATOM 38 CB GLU A 3 2.508 7.087 -3.497 1.00 0.00 C ATOM 39 CG GLU A 3 3.223 7.833 -4.627 1.00 0.00 C ATOM 40 CD GLU A 3 4.044 6.845 -5.458 1.00 0.00 C ATOM 41 OE1 GLU A 3 3.476 6.237 -6.350 1.00 0.00 O ATOM 42 OE2 GLU A 3 5.228 6.716 -5.191 1.00 0.00 O ATOM 0 H GLU A 3 2.501 9.625 -3.275 1.00 0.00 H new ATOM 0 HA GLU A 3 2.270 7.307 -1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.870 6.061 -3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.438 7.037 -3.699 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.494 8.338 -5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.874 8.603 -4.213 1.00 0.00 H new ATOM 49 N GLY A 4 4.644 8.875 -1.190 1.00 0.00 N ATOM 50 CA GLY A 4 6.065 9.007 -0.768 1.00 0.00 C ATOM 51 C GLY A 4 6.083 8.675 0.711 1.00 0.00 C ATOM 52 O GLY A 4 6.572 9.421 1.537 1.00 0.00 O ATOM 0 H GLY A 4 4.041 9.648 -0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.706 8.328 -1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.435 10.016 -0.948 1.00 0.00 H new ATOM 56 N HIS A 5 5.480 7.572 1.043 1.00 0.00 N ATOM 57 CA HIS A 5 5.364 7.175 2.472 1.00 0.00 C ATOM 58 C HIS A 5 5.802 5.730 2.702 1.00 0.00 C ATOM 59 O HIS A 5 6.356 5.082 1.836 1.00 0.00 O ATOM 60 CB HIS A 5 3.857 7.290 2.736 1.00 0.00 C ATOM 61 CG HIS A 5 3.090 6.335 1.828 1.00 0.00 C ATOM 62 ND1 HIS A 5 3.713 5.416 0.989 1.00 0.00 N ATOM 63 CD2 HIS A 5 1.741 6.120 1.645 1.00 0.00 C ATOM 64 CE1 HIS A 5 2.752 4.711 0.375 1.00 0.00 C ATOM 65 NE2 HIS A 5 1.539 5.097 0.738 1.00 0.00 N ATOM 0 H HIS A 5 5.058 6.922 0.380 1.00 0.00 H new ATOM 0 HA HIS A 5 5.991 7.788 3.119 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.645 7.060 3.780 1.00 0.00 H new ATOM 0 HB3 HIS A 5 3.527 8.314 2.561 1.00 0.00 H new ATOM 0 HD1 HIS A 5 4.719 5.300 0.864 1.00 0.00 H new ATOM 0 HD2 HIS A 5 0.955 6.672 2.139 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.945 3.920 -0.334 1.00 0.00 H new ATOM 73 N GLU A 6 5.504 5.211 3.855 1.00 0.00 N ATOM 74 CA GLU A 6 5.824 3.792 4.126 1.00 0.00 C ATOM 75 C GLU A 6 4.601 2.974 3.727 1.00 0.00 C ATOM 76 O GLU A 6 3.489 3.305 4.090 1.00 0.00 O ATOM 77 CB GLU A 6 6.077 3.689 5.627 1.00 0.00 C ATOM 78 CG GLU A 6 4.901 4.301 6.391 1.00 0.00 C ATOM 79 CD GLU A 6 5.388 5.508 7.195 1.00 0.00 C ATOM 80 OE1 GLU A 6 6.339 6.138 6.762 1.00 0.00 O ATOM 81 OE2 GLU A 6 4.802 5.780 8.229 1.00 0.00 O ATOM 0 H GLU A 6 5.052 5.710 4.621 1.00 0.00 H new ATOM 0 HA GLU A 6 6.693 3.430 3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.205 2.645 5.913 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.001 4.207 5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.120 4.606 5.694 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.461 3.559 7.058 1.00 0.00 H new ATOM 88 N CYS A 7 4.772 1.929 2.984 1.00 0.00 N ATOM 89 CA CYS A 7 3.581 1.133 2.579 1.00 0.00 C ATOM 90 C CYS A 7 2.715 0.879 3.809 1.00 0.00 C ATOM 91 O CYS A 7 3.066 0.105 4.677 1.00 0.00 O ATOM 92 CB CYS A 7 4.129 -0.174 2.009 1.00 0.00 C ATOM 93 SG CYS A 7 2.750 -1.247 1.544 1.00 0.00 S ATOM 0 H CYS A 7 5.670 1.589 2.640 1.00 0.00 H new ATOM 0 HA CYS A 7 2.962 1.643 1.841 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.756 0.029 1.141 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.758 -0.671 2.747 1.00 0.00 H new ATOM 98 N GLN A 8 1.593 1.541 3.906 1.00 0.00 N ATOM 99 CA GLN A 8 0.730 1.344 5.105 1.00 0.00 C ATOM 100 C GLN A 8 -0.478 0.481 4.761 1.00 0.00 C ATOM 101 O GLN A 8 -1.516 0.574 5.387 1.00 0.00 O ATOM 102 CB GLN A 8 0.291 2.749 5.515 1.00 0.00 C ATOM 103 CG GLN A 8 1.196 3.262 6.637 1.00 0.00 C ATOM 104 CD GLN A 8 1.210 2.256 7.788 1.00 0.00 C ATOM 105 OE1 GLN A 8 0.292 1.474 7.938 1.00 0.00 O ATOM 106 NE2 GLN A 8 2.220 2.240 8.614 1.00 0.00 N ATOM 0 H GLN A 8 1.240 2.203 3.215 1.00 0.00 H new ATOM 0 HA GLN A 8 1.259 0.832 5.909 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.340 3.421 4.658 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.746 2.734 5.849 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.208 3.413 6.261 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.840 4.229 6.991 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.991 2.896 8.489 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.238 1.572 9.384 1.00 0.00 H new ATOM 115 N CYS A 9 -0.357 -0.367 3.781 1.00 0.00 N ATOM 116 CA CYS A 9 -1.495 -1.234 3.413 1.00 0.00 C ATOM 117 C CYS A 9 -1.608 -2.388 4.411 1.00 0.00 C ATOM 118 O CYS A 9 -0.620 -2.981 4.796 1.00 0.00 O ATOM 119 CB CYS A 9 -1.096 -1.754 2.046 1.00 0.00 C ATOM 120 SG CYS A 9 -1.269 -0.446 0.818 1.00 0.00 S ATOM 0 H CYS A 9 0.486 -0.494 3.220 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.457 -0.722 3.413 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.066 -2.109 2.069 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.721 -2.605 1.774 1.00 0.00 H new ATOM 125 N GLN A 10 -2.797 -2.729 4.822 1.00 0.00 N ATOM 126 CA GLN A 10 -2.945 -3.862 5.776 1.00 0.00 C ATOM 127 C GLN A 10 -3.095 -5.156 4.978 1.00 0.00 C ATOM 128 O GLN A 10 -3.505 -6.178 5.489 1.00 0.00 O ATOM 129 CB GLN A 10 -4.216 -3.559 6.570 1.00 0.00 C ATOM 130 CG GLN A 10 -3.839 -3.158 7.998 1.00 0.00 C ATOM 131 CD GLN A 10 -4.812 -3.808 8.983 1.00 0.00 C ATOM 132 OE1 GLN A 10 -5.943 -3.382 9.108 1.00 0.00 O ATOM 133 NE2 GLN A 10 -4.416 -4.826 9.696 1.00 0.00 N ATOM 0 H GLN A 10 -3.667 -2.276 4.541 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.089 -3.978 6.440 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.775 -2.756 6.090 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.866 -4.434 6.586 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.818 -3.471 8.218 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.869 -2.073 8.103 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.467 -5.184 9.591 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.056 -5.264 10.358 1.00 0.00 H new ATOM 142 N CYS A 11 -2.763 -5.101 3.717 1.00 0.00 N ATOM 143 CA CYS A 11 -2.866 -6.276 2.843 1.00 0.00 C ATOM 144 C CYS A 11 -1.687 -7.217 3.075 1.00 0.00 C ATOM 145 O CYS A 11 -1.000 -7.147 4.076 1.00 0.00 O ATOM 146 CB CYS A 11 -2.794 -5.671 1.444 1.00 0.00 C ATOM 147 SG CYS A 11 -3.892 -4.232 1.317 1.00 0.00 S ATOM 0 H CYS A 11 -2.416 -4.260 3.255 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.768 -6.864 3.015 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.769 -5.374 1.222 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.077 -6.419 0.703 1.00 0.00 H new ATOM 152 N GLY A 12 -1.449 -8.090 2.146 1.00 0.00 N ATOM 153 CA GLY A 12 -0.314 -9.043 2.277 1.00 0.00 C ATOM 154 C GLY A 12 0.675 -8.800 1.136 1.00 0.00 C ATOM 155 O GLY A 12 1.819 -9.205 1.195 1.00 0.00 O ATOM 0 H GLY A 12 -1.996 -8.188 1.291 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.181 -8.909 3.239 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.679 -10.070 2.247 1.00 0.00 H new ATOM 159 N SER A 13 0.241 -8.137 0.099 1.00 0.00 N ATOM 160 CA SER A 13 1.150 -7.860 -1.049 1.00 0.00 C ATOM 161 C SER A 13 1.880 -6.531 -0.834 1.00 0.00 C ATOM 162 O SER A 13 3.010 -6.360 -1.244 1.00 0.00 O ATOM 163 CB SER A 13 0.232 -7.777 -2.268 1.00 0.00 C ATOM 164 OG SER A 13 0.790 -8.543 -3.328 1.00 0.00 O ATOM 0 H SER A 13 -0.707 -7.774 -0.003 1.00 0.00 H new ATOM 0 HA SER A 13 1.915 -8.627 -1.167 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.760 -8.151 -2.017 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.112 -6.739 -2.578 1.00 0.00 H new ATOM 0 HG SER A 13 0.203 -8.494 -4.111 1.00 0.00 H new ATOM 170 N CYS A 14 1.240 -5.585 -0.202 1.00 0.00 N ATOM 171 CA CYS A 14 1.873 -4.276 0.034 1.00 0.00 C ATOM 172 C CYS A 14 2.634 -4.302 1.353 1.00 0.00 C ATOM 173 O CYS A 14 3.828 -4.085 1.400 1.00 0.00 O ATOM 174 CB CYS A 14 0.681 -3.334 0.127 1.00 0.00 C ATOM 175 SG CYS A 14 -0.446 -3.642 -1.266 1.00 0.00 S ATOM 0 H CYS A 14 0.292 -5.674 0.162 1.00 0.00 H new ATOM 0 HA CYS A 14 2.589 -3.988 -0.736 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.158 -3.484 1.072 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.020 -2.298 0.112 1.00 0.00 H new ATOM 180 N LYS A 15 1.933 -4.569 2.417 1.00 0.00 N ATOM 181 CA LYS A 15 2.569 -4.628 3.766 1.00 0.00 C ATOM 182 C LYS A 15 4.010 -5.154 3.669 1.00 0.00 C ATOM 183 O LYS A 15 4.880 -4.746 4.413 1.00 0.00 O ATOM 184 CB LYS A 15 1.679 -5.592 4.569 1.00 0.00 C ATOM 185 CG LYS A 15 2.073 -7.050 4.293 1.00 0.00 C ATOM 186 CD LYS A 15 1.395 -7.962 5.318 1.00 0.00 C ATOM 187 CE LYS A 15 2.374 -8.274 6.452 1.00 0.00 C ATOM 188 NZ LYS A 15 1.516 -8.521 7.643 1.00 0.00 N ATOM 0 H LYS A 15 0.930 -4.752 2.411 1.00 0.00 H new ATOM 0 HA LYS A 15 2.640 -3.647 4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.773 -5.380 5.634 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.633 -5.436 4.304 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.775 -7.334 3.284 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.156 -7.163 4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.503 -7.479 5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.070 -8.886 4.840 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.985 -9.146 6.218 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.058 -7.443 6.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.116 -8.742 8.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.951 -7.672 7.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.881 -9.322 7.453 1.00 0.00 H new ATOM 202 N ASN A 16 4.264 -6.055 2.757 1.00 0.00 N ATOM 203 CA ASN A 16 5.646 -6.605 2.616 1.00 0.00 C ATOM 204 C ASN A 16 6.034 -6.711 1.136 1.00 0.00 C ATOM 205 O ASN A 16 5.899 -7.750 0.521 1.00 0.00 O ATOM 206 CB ASN A 16 5.583 -7.992 3.255 1.00 0.00 C ATOM 207 CG ASN A 16 6.989 -8.595 3.312 1.00 0.00 C ATOM 208 OD1 ASN A 16 7.816 -8.319 2.466 1.00 0.00 O ATOM 209 ND2 ASN A 16 7.295 -9.412 4.281 1.00 0.00 N ATOM 0 H ASN A 16 3.577 -6.434 2.105 1.00 0.00 H new ATOM 0 HA ASN A 16 6.393 -5.968 3.090 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.165 -7.922 4.259 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.922 -8.639 2.679 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.229 -9.819 4.329 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.601 -9.644 4.991 1.00 0.00 H new ATOM 216 N ASN A 17 6.520 -5.644 0.563 1.00 0.00 N ATOM 217 CA ASN A 17 6.923 -5.675 -0.874 1.00 0.00 C ATOM 218 C ASN A 17 7.878 -4.528 -1.172 1.00 0.00 C ATOM 219 O ASN A 17 7.492 -3.377 -1.199 1.00 0.00 O ATOM 220 CB ASN A 17 5.624 -5.514 -1.661 1.00 0.00 C ATOM 221 CG ASN A 17 5.271 -6.841 -2.334 1.00 0.00 C ATOM 222 OD1 ASN A 17 4.832 -7.768 -1.682 1.00 0.00 O ATOM 223 ND2 ASN A 17 5.447 -6.975 -3.620 1.00 0.00 N ATOM 0 H ASN A 17 6.656 -4.747 1.030 1.00 0.00 H new ATOM 0 HA ASN A 17 7.440 -6.598 -1.138 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.818 -5.205 -0.995 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.735 -4.731 -2.411 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.216 -7.857 -4.077 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.815 -6.198 -4.168 1.00 0.00 H new ATOM 230 N GLU A 18 9.126 -4.832 -1.405 1.00 0.00 N ATOM 231 CA GLU A 18 10.106 -3.753 -1.707 1.00 0.00 C ATOM 232 C GLU A 18 9.824 -3.154 -3.080 1.00 0.00 C ATOM 233 O GLU A 18 10.466 -2.214 -3.507 1.00 0.00 O ATOM 234 CB GLU A 18 11.476 -4.431 -1.685 1.00 0.00 C ATOM 235 CG GLU A 18 11.634 -5.222 -0.386 1.00 0.00 C ATOM 236 CD GLU A 18 13.079 -5.708 -0.258 1.00 0.00 C ATOM 237 OE1 GLU A 18 13.902 -5.268 -1.043 1.00 0.00 O ATOM 238 OE2 GLU A 18 13.336 -6.511 0.623 1.00 0.00 O ATOM 0 H GLU A 18 9.507 -5.778 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 18 10.050 -2.936 -0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.578 -5.096 -2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.265 -3.683 -1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.372 -4.596 0.467 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.951 -6.072 -0.380 1.00 0.00 H new ATOM 245 N GLN A 19 8.860 -3.683 -3.769 1.00 0.00 N ATOM 246 CA GLN A 19 8.525 -3.133 -5.113 1.00 0.00 C ATOM 247 C GLN A 19 7.555 -1.975 -4.963 1.00 0.00 C ATOM 248 O GLN A 19 7.628 -0.971 -5.642 1.00 0.00 O ATOM 249 CB GLN A 19 7.881 -4.293 -5.875 1.00 0.00 C ATOM 250 CG GLN A 19 8.912 -5.404 -6.086 1.00 0.00 C ATOM 251 CD GLN A 19 9.352 -5.418 -7.551 1.00 0.00 C ATOM 252 OE1 GLN A 19 8.657 -5.939 -8.401 1.00 0.00 O ATOM 253 NE2 GLN A 19 10.485 -4.864 -7.885 1.00 0.00 N ATOM 0 H GLN A 19 8.288 -4.471 -3.465 1.00 0.00 H new ATOM 0 HA GLN A 19 9.400 -2.751 -5.639 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.026 -4.677 -5.318 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.504 -3.945 -6.837 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.773 -5.244 -5.438 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.484 -6.369 -5.814 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.069 -4.427 -7.172 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.787 -4.868 -8.859 1.00 0.00 H new ATOM 262 N CYS A 20 6.654 -2.135 -4.067 1.00 0.00 N ATOM 263 CA CYS A 20 5.634 -1.101 -3.802 1.00 0.00 C ATOM 264 C CYS A 20 5.636 -0.737 -2.313 1.00 0.00 C ATOM 265 O CYS A 20 4.669 -0.226 -1.786 1.00 0.00 O ATOM 266 CB CYS A 20 4.338 -1.792 -4.193 1.00 0.00 C ATOM 267 SG CYS A 20 3.916 -3.056 -2.964 1.00 0.00 S ATOM 0 H CYS A 20 6.573 -2.967 -3.482 1.00 0.00 H new ATOM 0 HA CYS A 20 5.797 -0.170 -4.345 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.533 -1.060 -4.266 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.442 -2.250 -5.177 1.00 0.00 H new ATOM 272 N GLN A 21 6.715 -1.011 -1.631 1.00 0.00 N ATOM 273 CA GLN A 21 6.781 -0.696 -0.176 1.00 0.00 C ATOM 274 C GLN A 21 6.882 0.812 0.053 1.00 0.00 C ATOM 275 O GLN A 21 7.003 1.260 1.173 1.00 0.00 O ATOM 276 CB GLN A 21 8.051 -1.386 0.326 1.00 0.00 C ATOM 277 CG GLN A 21 7.672 -2.551 1.245 1.00 0.00 C ATOM 278 CD GLN A 21 8.147 -2.256 2.669 1.00 0.00 C ATOM 279 OE1 GLN A 21 7.574 -1.433 3.356 1.00 0.00 O ATOM 280 NE2 GLN A 21 9.178 -2.898 3.146 1.00 0.00 N ATOM 0 H GLN A 21 7.555 -1.440 -2.020 1.00 0.00 H new ATOM 0 HA GLN A 21 5.887 -1.036 0.347 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.637 -1.751 -0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.676 -0.673 0.864 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.592 -2.700 1.234 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.124 -3.475 0.884 1.00 0.00 H new ATOM 0 HE21 GLN A 21 9.660 -3.589 2.570 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.502 -2.709 4.094 1.00 0.00 H new ATOM 289 N LYS A 22 6.856 1.607 -0.982 1.00 0.00 N ATOM 290 CA LYS A 22 6.973 3.078 -0.753 1.00 0.00 C ATOM 291 C LYS A 22 6.471 3.906 -1.936 1.00 0.00 C ATOM 292 O LYS A 22 6.723 5.093 -2.008 1.00 0.00 O ATOM 293 CB LYS A 22 8.461 3.322 -0.552 1.00 0.00 C ATOM 294 CG LYS A 22 9.272 2.571 -1.614 1.00 0.00 C ATOM 295 CD LYS A 22 10.347 1.725 -0.929 1.00 0.00 C ATOM 296 CE LYS A 22 11.232 2.628 -0.064 1.00 0.00 C ATOM 297 NZ LYS A 22 12.286 1.730 0.495 1.00 0.00 N ATOM 0 H LYS A 22 6.761 1.313 -1.954 1.00 0.00 H new ATOM 0 HA LYS A 22 6.362 3.381 0.097 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.672 4.390 -0.611 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.759 2.992 0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.615 1.934 -2.206 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.734 3.279 -2.302 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.882 0.956 -0.313 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.952 1.212 -1.676 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.673 3.430 -0.656 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.654 3.099 0.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.928 2.282 1.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.839 0.980 1.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.826 1.301 -0.284 1.00 0.00 H new ATOM 311 N SER A 23 5.786 3.321 -2.867 1.00 0.00 N ATOM 312 CA SER A 23 5.320 4.148 -4.022 1.00 0.00 C ATOM 313 C SER A 23 3.826 3.996 -4.306 1.00 0.00 C ATOM 314 O SER A 23 3.379 4.086 -5.432 1.00 0.00 O ATOM 315 CB SER A 23 6.156 3.700 -5.218 1.00 0.00 C ATOM 316 OG SER A 23 7.527 3.977 -4.962 1.00 0.00 O ATOM 0 H SER A 23 5.529 2.334 -2.889 1.00 0.00 H new ATOM 0 HA SER A 23 5.452 5.207 -3.802 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.015 2.634 -5.396 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.830 4.219 -6.119 1.00 0.00 H new ATOM 0 HG SER A 23 8.067 3.689 -5.727 1.00 0.00 H new ATOM 322 N CYS A 24 3.060 3.808 -3.289 1.00 0.00 N ATOM 323 CA CYS A 24 1.609 3.693 -3.434 1.00 0.00 C ATOM 324 C CYS A 24 0.962 4.878 -2.722 1.00 0.00 C ATOM 325 O CYS A 24 1.366 5.261 -1.651 1.00 0.00 O ATOM 326 CB CYS A 24 1.325 2.347 -2.795 1.00 0.00 C ATOM 327 SG CYS A 24 1.179 2.477 -1.009 1.00 0.00 S ATOM 0 H CYS A 24 3.396 3.727 -2.329 1.00 0.00 H new ATOM 0 HA CYS A 24 1.217 3.726 -4.450 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.403 1.936 -3.207 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.124 1.650 -3.045 1.00 0.00 H new ATOM 332 N SER A 25 -0.002 5.505 -3.331 1.00 0.00 N ATOM 333 CA SER A 25 -0.618 6.707 -2.696 1.00 0.00 C ATOM 334 C SER A 25 -1.515 6.333 -1.522 1.00 0.00 C ATOM 335 O SER A 25 -2.282 7.145 -1.044 1.00 0.00 O ATOM 336 CB SER A 25 -1.434 7.368 -3.803 1.00 0.00 C ATOM 337 OG SER A 25 -0.601 7.583 -4.935 1.00 0.00 O ATOM 0 H SER A 25 -0.391 5.242 -4.236 1.00 0.00 H new ATOM 0 HA SER A 25 0.145 7.370 -2.287 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.280 6.736 -4.074 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.843 8.316 -3.453 1.00 0.00 H new ATOM 0 HG SER A 25 -1.122 8.006 -5.649 1.00 0.00 H new ATOM 343 N CYS A 26 -1.426 5.136 -1.029 1.00 0.00 N ATOM 344 CA CYS A 26 -2.272 4.776 0.121 1.00 0.00 C ATOM 345 C CYS A 26 -2.069 5.777 1.255 1.00 0.00 C ATOM 346 O CYS A 26 -0.976 5.912 1.770 1.00 0.00 O ATOM 347 CB CYS A 26 -1.757 3.418 0.535 1.00 0.00 C ATOM 348 SG CYS A 26 -2.625 2.142 -0.404 1.00 0.00 S ATOM 0 H CYS A 26 -0.808 4.400 -1.372 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.335 4.775 -0.118 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.684 3.352 0.355 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.911 3.268 1.604 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.358 0.974 0.101 1.00 0.00 H new ATOM 353 N PRO A 27 -3.129 6.433 1.628 1.00 0.00 N ATOM 354 CA PRO A 27 -3.052 7.410 2.736 1.00 0.00 C ATOM 355 C PRO A 27 -2.785 6.659 4.018 1.00 0.00 C ATOM 356 O PRO A 27 -3.697 6.154 4.616 1.00 0.00 O ATOM 357 CB PRO A 27 -4.429 8.064 2.740 1.00 0.00 C ATOM 358 CG PRO A 27 -5.326 7.061 2.088 1.00 0.00 C ATOM 359 CD PRO A 27 -4.482 6.332 1.074 1.00 0.00 C ATOM 0 HA PRO A 27 -2.260 8.152 2.631 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.758 8.289 3.755 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.422 9.006 2.191 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.734 6.368 2.824 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.173 7.551 1.608 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.795 5.294 0.962 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.549 6.793 0.089 1.00 0.00 H new ATOM 367 N THR A 28 -1.519 6.568 4.383 1.00 0.00 N ATOM 368 CA THR A 28 -1.060 5.804 5.586 1.00 0.00 C ATOM 369 C THR A 28 -2.137 5.706 6.637 1.00 0.00 C ATOM 370 O THR A 28 -2.102 6.265 7.714 1.00 0.00 O ATOM 371 CB THR A 28 0.169 6.546 6.103 1.00 0.00 C ATOM 372 OG1 THR A 28 0.014 7.940 5.866 1.00 0.00 O ATOM 373 CG2 THR A 28 1.403 6.033 5.366 1.00 0.00 C ATOM 0 H THR A 28 -0.759 7.014 3.869 1.00 0.00 H new ATOM 0 HA THR A 28 -0.821 4.772 5.329 1.00 0.00 H new ATOM 0 HB THR A 28 0.284 6.375 7.173 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.802 8.418 6.199 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.287 6.557 5.728 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.516 4.964 5.546 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.288 6.211 4.297 1.00 0.00 H new ATOM 381 N GLY A 29 -3.075 4.945 6.251 1.00 0.00 N ATOM 382 CA GLY A 29 -4.266 4.624 7.049 1.00 0.00 C ATOM 383 C GLY A 29 -4.914 3.368 6.445 1.00 0.00 C ATOM 384 O GLY A 29 -5.793 2.779 7.041 1.00 0.00 O ATOM 0 H GLY A 29 -3.071 4.490 5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.993 4.450 8.090 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.968 5.458 7.039 1.00 0.00 H new ATOM 388 N CYS A 30 -4.509 2.949 5.249 1.00 0.00 N ATOM 389 CA CYS A 30 -5.147 1.748 4.648 1.00 0.00 C ATOM 390 C CYS A 30 -5.141 0.579 5.631 1.00 0.00 C ATOM 391 O CYS A 30 -4.129 -0.048 5.872 1.00 0.00 O ATOM 392 CB CYS A 30 -4.306 1.437 3.420 1.00 0.00 C ATOM 393 SG CYS A 30 -5.287 0.467 2.246 1.00 0.00 S ATOM 0 H CYS A 30 -3.779 3.388 4.688 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.193 1.920 4.393 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.970 2.362 2.952 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -3.413 0.883 3.709 1.00 0.00 H new ATOM 398 N ASN A 31 -6.278 0.284 6.189 1.00 0.00 N ATOM 399 CA ASN A 31 -6.381 -0.849 7.155 1.00 0.00 C ATOM 400 C ASN A 31 -7.333 -1.908 6.597 1.00 0.00 C ATOM 401 O ASN A 31 -6.932 -3.003 6.254 1.00 0.00 O ATOM 402 CB ASN A 31 -6.955 -0.234 8.432 1.00 0.00 C ATOM 403 CG ASN A 31 -5.814 0.160 9.370 1.00 0.00 C ATOM 404 OD1 ASN A 31 -4.732 -0.387 9.293 1.00 0.00 O ATOM 405 ND2 ASN A 31 -6.011 1.096 10.259 1.00 0.00 N ATOM 0 H ASN A 31 -7.151 0.782 6.018 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.422 -1.333 7.338 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.557 0.641 8.187 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.615 -0.947 8.926 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.256 1.368 10.889 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.920 1.555 10.323 1.00 0.00 H new ATOM 412 N SER A 32 -8.590 -1.578 6.486 1.00 0.00 N ATOM 413 CA SER A 32 -9.576 -2.546 5.928 1.00 0.00 C ATOM 414 C SER A 32 -9.649 -2.360 4.417 1.00 0.00 C ATOM 415 O SER A 32 -10.447 -1.598 3.908 1.00 0.00 O ATOM 416 CB SER A 32 -10.908 -2.189 6.584 1.00 0.00 C ATOM 417 OG SER A 32 -10.663 -1.428 7.760 1.00 0.00 O ATOM 0 H SER A 32 -8.978 -0.675 6.759 1.00 0.00 H new ATOM 0 HA SER A 32 -9.309 -3.585 6.122 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.527 -1.619 5.891 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.459 -3.096 6.832 1.00 0.00 H new ATOM 0 HG SER A 32 -11.516 -1.196 8.183 1.00 0.00 H new ATOM 423 N ASP A 33 -8.812 -3.049 3.700 1.00 0.00 N ATOM 424 CA ASP A 33 -8.812 -2.918 2.225 1.00 0.00 C ATOM 425 C ASP A 33 -8.367 -4.231 1.595 1.00 0.00 C ATOM 426 O ASP A 33 -7.252 -4.373 1.134 1.00 0.00 O ATOM 427 CB ASP A 33 -7.807 -1.813 1.923 1.00 0.00 C ATOM 428 CG ASP A 33 -8.379 -0.465 2.366 1.00 0.00 C ATOM 429 OD1 ASP A 33 -8.437 -0.233 3.562 1.00 0.00 O ATOM 430 OD2 ASP A 33 -8.751 0.311 1.501 1.00 0.00 O ATOM 0 H ASP A 33 -8.124 -3.701 4.077 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.799 -2.684 1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.868 -2.009 2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.584 -1.792 0.856 1.00 0.00 H new ATOM 435 N ASP A 34 -9.246 -5.183 1.562 1.00 0.00 N ATOM 436 CA ASP A 34 -8.913 -6.499 0.951 1.00 0.00 C ATOM 437 C ASP A 34 -9.267 -6.479 -0.524 1.00 0.00 C ATOM 438 O ASP A 34 -9.534 -7.485 -1.149 1.00 0.00 O ATOM 439 CB ASP A 34 -9.738 -7.537 1.715 1.00 0.00 C ATOM 440 CG ASP A 34 -9.592 -8.903 1.043 1.00 0.00 C ATOM 441 OD1 ASP A 34 -8.511 -9.463 1.114 1.00 0.00 O ATOM 442 OD2 ASP A 34 -10.565 -9.366 0.471 1.00 0.00 O ATOM 0 H ASP A 34 -10.192 -5.109 1.935 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.850 -6.733 1.018 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.403 -7.592 2.751 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.787 -7.240 1.735 1.00 0.00 H new ATOM 447 N LYS A 35 -9.201 -5.320 -1.073 1.00 0.00 N ATOM 448 CA LYS A 35 -9.448 -5.122 -2.515 1.00 0.00 C ATOM 449 C LYS A 35 -8.341 -4.212 -2.999 1.00 0.00 C ATOM 450 O LYS A 35 -8.485 -3.422 -3.911 1.00 0.00 O ATOM 451 CB LYS A 35 -10.824 -4.462 -2.630 1.00 0.00 C ATOM 452 CG LYS A 35 -11.680 -5.239 -3.633 1.00 0.00 C ATOM 453 CD LYS A 35 -11.850 -4.410 -4.907 1.00 0.00 C ATOM 454 CE LYS A 35 -10.819 -4.855 -5.945 1.00 0.00 C ATOM 455 NZ LYS A 35 -11.613 -5.160 -7.167 1.00 0.00 N ATOM 0 H LYS A 35 -8.977 -4.464 -0.565 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.448 -6.037 -3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.313 -4.443 -1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.717 -3.426 -2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.208 -6.193 -3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.655 -5.463 -3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.858 -4.534 -5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.724 -3.351 -4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.086 -4.071 -6.135 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.267 -5.731 -5.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.975 -5.473 -7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.297 -5.914 -6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.122 -4.306 -7.472 1.00 0.00 H new ATOM 469 N CYS A 36 -7.223 -4.354 -2.357 1.00 0.00 N ATOM 470 CA CYS A 36 -6.031 -3.554 -2.690 1.00 0.00 C ATOM 471 C CYS A 36 -4.855 -4.460 -2.903 1.00 0.00 C ATOM 472 O CYS A 36 -4.008 -4.608 -2.044 1.00 0.00 O ATOM 473 CB CYS A 36 -5.725 -2.686 -1.498 1.00 0.00 C ATOM 474 SG CYS A 36 -4.588 -1.374 -2.030 1.00 0.00 S ATOM 0 H CYS A 36 -7.086 -5.014 -1.591 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.215 -2.967 -3.590 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -6.642 -2.255 -1.096 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.276 -3.279 -0.701 1.00 0.00 H new ATOM 479 N PRO A 37 -4.811 -4.986 -4.057 1.00 0.00 N ATOM 480 CA PRO A 37 -3.711 -5.833 -4.459 1.00 0.00 C ATOM 481 C PRO A 37 -2.679 -4.926 -5.111 1.00 0.00 C ATOM 482 O PRO A 37 -2.045 -5.244 -6.098 1.00 0.00 O ATOM 483 CB PRO A 37 -4.400 -6.838 -5.385 1.00 0.00 C ATOM 484 CG PRO A 37 -5.690 -6.175 -5.815 1.00 0.00 C ATOM 485 CD PRO A 37 -5.781 -4.850 -5.124 1.00 0.00 C ATOM 0 HA PRO A 37 -3.165 -6.372 -3.685 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.773 -7.072 -6.246 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.595 -7.778 -4.868 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.709 -6.043 -6.897 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.545 -6.800 -5.556 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.535 -4.026 -5.793 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.783 -4.661 -4.740 1.00 0.00 H new ATOM 493 N CYS A 38 -2.532 -3.769 -4.509 1.00 0.00 N ATOM 494 CA CYS A 38 -1.579 -2.741 -4.976 1.00 0.00 C ATOM 495 C CYS A 38 -0.145 -3.212 -4.882 1.00 0.00 C ATOM 496 O CYS A 38 0.300 -3.800 -3.915 1.00 0.00 O ATOM 497 CB CYS A 38 -1.881 -1.570 -4.044 1.00 0.00 C ATOM 498 SG CYS A 38 -0.407 -0.589 -3.657 1.00 0.00 S ATOM 0 H CYS A 38 -3.061 -3.496 -3.681 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.691 -2.485 -6.030 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.630 -0.927 -4.506 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.314 -1.949 -3.118 1.00 0.00 H new ATOM 503 N GLY A 39 0.563 -2.915 -5.911 1.00 0.00 N ATOM 504 CA GLY A 39 2.000 -3.273 -5.999 1.00 0.00 C ATOM 505 C GLY A 39 2.719 -2.150 -6.742 1.00 0.00 C ATOM 506 O GLY A 39 3.854 -2.285 -7.153 1.00 0.00 O ATOM 0 H GLY A 39 0.201 -2.422 -6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.422 -3.403 -5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.126 -4.220 -6.524 1.00 0.00 H new ATOM 510 N ASN A 40 2.055 -1.033 -6.916 1.00 0.00 N ATOM 511 CA ASN A 40 2.697 0.109 -7.635 1.00 0.00 C ATOM 512 C ASN A 40 3.408 1.027 -6.639 1.00 0.00 C ATOM 513 O ASN A 40 3.799 0.541 -5.591 1.00 0.00 O ATOM 514 CB ASN A 40 1.553 0.857 -8.329 1.00 0.00 C ATOM 515 CG ASN A 40 0.401 1.080 -7.346 1.00 0.00 C ATOM 516 OD1 ASN A 40 -0.687 0.580 -7.547 1.00 0.00 O ATOM 517 ND2 ASN A 40 0.594 1.814 -6.284 1.00 0.00 N ATOM 518 OXT ASN A 40 3.549 2.200 -6.941 1.00 0.00 O ATOM 0 H ASN A 40 1.102 -0.864 -6.593 1.00 0.00 H new ATOM 0 HA ASN A 40 3.446 -0.232 -8.350 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.910 1.815 -8.707 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.203 0.286 -9.189 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.169 1.967 -5.624 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.508 2.235 -6.114 1.00 0.00 H new TER 525 ASN A 40 HETATM 526 AG AG A 41 1.021 0.335 0.200 1.00 0.00 AG HETATM 527 AG AG A 42 -2.755 -2.867 -0.719 1.00 0.00 AG HETATM 528 AG AG A 43 3.377 -1.959 -0.779 1.00 0.00 AG HETATM 529 AG AG A 44 -0.958 1.031 -1.874 1.00 0.00 AG HETATM 530 AG AG A 45 -4.336 -1.846 2.008 1.00 0.00 AG HETATM 531 AG AG A 46 -4.048 0.161 -0.135 1.00 0.00 AG HETATM 532 AG AG A 47 0.474 -1.329 -1.436 1.00 0.00 AG